Materials Literature
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The blending of mesoporosity with the properties of semiconductors promises new types of multifunctional nanomaterials. It would be particularly interesting to combine the shape selectivity of a mesoporous oxide with the electronic and photonic characteristics of a useful semiconductor. We demonstrated the synthesis o…
We report the fabrication of self-assembled, strain-free GaAs/Al$_{0.27}$Ga$_{0.73}$As quantum dot pairs which are laterally aligned in the growth plane, utilizing the droplet epitaxy technique and the anisotropic surface potentials of the GaAs (100) surface for the migration of Ga adatoms. Photoluminescence spectra f…
Room-temperature Co K-edge and La L-edge x-ray absorption studies have been carried out on LaCoO 3 . Experimental near-edge structures have been analysed by theoretical LDA+ U density of states (DOS) and multiple scattering (MS) calculations. Use of both MS and DOS calculations yields additional information about hybr…
We present a model describing the lattice distortion and incommensurate magnetic order in the spinel CdCr2O4, a good realization of the Heisenberg "pyrochlore" antiferromagnet. The magnetic frustration is relieved through the spin-Peierls distortion of the lattice involving a phonon doublet with odd parity. The distor…
We calculate the excitonic optical absorption spectra of (In,Ga)As/GaAs self-assembled quantum dots by adopting an atomistic pseudopotential approach to the single-particle problem followed by a configuration-interaction approach to the many-body problem. We find three types of allowed transitions that would be naivel…
The predicted structures and electronic properties of CeO(2) and Ce(2)O(3) have been studied using conventional and hybrid density functional theory. The lattice constant and bulk modulus for CeO(2) from local (LSDA) functionals are in good agreement with experiment, while the lattice parameter from a generalized grad…
A new strategy of using pre-grown crystals to study preferential adsorption of various additives is demonstrated for the electrocrystallization of Cu2O. In this method, micron-size Cu2O crystals with well-defined cubic and octahedral shapes were first electrochemically grown, and their crystallization was resumed in a…
The growth of gold nanoparticles by reduction by citrate and ascorbic acid has been examined in detail to explore the parameter space of reaction conditions. It is found that gold particles can be produced in a wide range of sizes, from 9 to 120 nm, with defined size distribution, following the earlier work of Turkevi…
The phase transition induced by pressure in the PbS and HgS nanocrystals was studied by in situ high pressure X-ray powder diffraction measurements. PbS underwent a phase transition from B1-B16 at 7 GPa whereas no transition was observed in HgS up to 15 GPa. The transition remained unaltered on the release of pressure…
A convenient sonochemical route was developed to fabricate one-dimensional (1D) CdS or CdSe assemblies via a simple template method with two-steps: Firstly, the colloid one dimensional cadmium hydroxide particles were prepared as templates under sonication; then, the colloid particles were converted into 1D CdS or CdS…
Abstract The formation energy of the mono-vacancy and both the formation energy and binding energy of the di-and tri-vacancy in BCC alkali metals and transition metals have been calculated by using the modified analytical embedded-atom method (MAEAM). The formation energy of each type of configuration of the vacancies…
We present experimental results for spinodal decomposition in polymer mixtures of gelatin and dextran. The domain growth law is found to be consistent with t 1/4 growth over extended time regimes. Similar results are obtained from lattice simulations of a polymer mixture. This slow growth arises due to the suppression…
We investigated the interfacial interaction of simple functional groups ($\ensuremath{-}{\mathrm{NH}}_{2}$, $\ensuremath{-}\mathrm{CN}$, $\ensuremath{-}{\mathrm{CH}}_{3}$, $\ensuremath{-}{\mathrm{CHOCH}}_{2}$) with single wall carbon nanotubes, using ab initio calculations. We computed binding energies and attachment…
So leicht wie das AB2C: Bei der Bestrahlung in Lösung mit einer 400-W-Lampe wandelt sich die freie Corrolbase 1 in das entsprechende trans-AB2C-Porphyrin 2 um. Als Beiprodukt entsteht ein offenkettiges Biliverdin.
Bicrystalline ZnO nanocombs have been prepared by zinc powder evaporation at 650 degrees C. Structural analysis showed that as-synthesized samples are composed of two crystals that form a twin structure parallel to the (113) plane with the growth direction of the branching nanowires and the main stem closely parallel…
Poly(4-methyl-1-pentene), PMP, a high melting polymer composed of hydrogen and carbon, has the potential to become an alternative to polyethylene (PE) as shielding material against Galactic Cosmic Radiation (GCR). PMP exhibits higher thermal stability than PE and is transparent in the UV/visible region of the electrom…
Atomic force microscopy (AFM) was used to study the nanoscale surface chemistry and morphological changes caused by chemical treatment of sisal fibers. Scanning Electron Microscopy (SEM) micrographs indicated that sisal in natura (bundle of fibers) is formed by fibers with diameters of approximately 10 microm. AFM ima…
Abstract Summary: A chiral, regioregular poly[3‐(4‐alkoxyphenyl)thiophene] has been prepared and studied. Films prepared by fast evaporation of the solvent, consist of random‐coils, while films prepared by slow evaporation are composed of chirally aggregated, coplanar strands. Heat treatment transforms the random‐coil…
The dynamics of heterogeneities in a shear thickening, concentrated colloidal suspension is investigated through speckle visibility spectroscopy, a dynamic light scattering technique recently introduced [P. K. Dixon and D. J. Durian, Phys. Rev. Lett. 90, 184302 (2003)]. Formation of shear-induced heterogeneities is ob…
The design, the physical properties and the implementation of nanostructured protein biofilms and nanostructured biocrystals are here summarized from ab initio considerations. Particular emphasis is placed on those being developed in our Institute having unique properties useful in a wide range of applications.